- InChI
- InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
- InChI Key
- TXOFSCODFRHERQ-UHFFFAOYSA-N
- Formula
- C10H15N
- SMILES
- CN(C)CCc1ccccc1
- Molecular Weight1
- 149.23
- CAS
- 1126-71-2
- Other Names
-
- Benzeneethanamine, dimethyl-
- Dimethylaminoethylbenzene
- N,N-Dimethyl-2-phenethylamine
- N,N-Dimethyl-«beta»-phenethylamine
- N,N-Dimethylbenzeneethanamine
- N,N-Dimethylphenethylamine
- N-Phenethyldimethylamine
- Phenethylamine, N,N-dimethyl-
- Phenylethylamine, N,N-dimethyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3974 | Relay (1.0) Calculated Property | |
| ΔfG° | 256.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 89.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.70; 8.35] | eV |
|
| IE | 7.70 ± 0.03 | eV | NIST |
| IE | 7.70 ± 0.05 | eV | NIST |
| IE | 8.35 ± 0.14 | eV | NIST |
| log10WS | -1.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.791 | Crippen Calculated Property | |
| McVol | 137.980 | ml/mol | McGowan Calculated Property |
| Pc | 2925.00 | kPa | Joback Calculated Property |
| Inp | [1159.00; 1173.00] |
|
|
| Inp | 1170.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Ip | [1498.00; 1498.00] |
|
|
| Ip | 1498.00 | NIST | |
| Ip | 1498.00 | NIST | |
| Tboil | 475.65 ± 5.00 | K | NIST |
| Tc | 681.97 | K | Relay (1.0) Calculated Property |
| Tfus | 252.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.87; 454.74] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.07980e+01 | |||
| Coefficient B | 9.98840e-01 | |||
| Coefficient C | -6.64000e-04 | |||
| Coefficient D | 1.70700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 175.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 227.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 310.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 399.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 420.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 438.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 454.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [360.90; 503.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54194e+01 | |||
| Coefficient B | -4.33068e+03 | |||
| Coefficient C | -7.47010e+01 | |||
| Temperature range, min. | 360.90 | |||
| Temperature range, max. | 503.14 | |||
| Pvap | 1.33 | kPa | 360.90 | Calculated Property |
| Pvap | 2.94 | kPa | 376.70 | Calculated Property |
| Pvap | 6.01 | kPa | 392.51 | Calculated Property |
| Pvap | 11.45 | kPa | 408.31 | Calculated Property |
| Pvap | 20.60 | kPa | 424.12 | Calculated Property |
| Pvap | 35.22 | kPa | 439.92 | Calculated Property |
| Pvap | 57.60 | kPa | 455.73 | Calculated Property |
| Pvap | 90.58 | kPa | 471.53 | Calculated Property |
| Pvap | 137.58 | kPa | 487.34 | Calculated Property |
| Pvap | 202.63 | kPa | 503.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneethanamine, N,N-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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